PDB: 340 resultsInfo pagesStatus searchChemie searchBIRD

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5A2S	Potent, selective and CNS-penetrant tetrasubstituted cyclopropane class IIa histone deacetylase (HDAC) inhibitors Descriptor: (1S,2S,3S)-1-fluoranyl-2-[4-(5-fluoranylpyrimidin-2-yl)phenyl]-N-oxidanyl-3-phenyl-cyclopropane-1-carboxamide, HISTONE DEACETYLASE 4, SODIUM ION, ... Authors: Luckhurst, C.A, Breccia, P, Stott, A.J, Aziz, O, Birch, H, Burli, R.W, Hughes, S, Jarvis, R.E, Lamers, M, Leonard, P, Matthews, K.L, McAllister, G, Pollack, S, Saville-Stones, E, Wishart, G, Yates, D, Dominguez, C. Deposit date: 2015-05-22 Release date: 2016-02-10 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (2.65 Å) Cite: Potent, Selective, and Cns-Penetrant Tetrasubstituted Cyclopropane Class Iia Histone Deacetylase (Hdac) Inhibitors. Acs Med.Chem.Lett., 7, 2016
5BWZ	Crystal structure of S39E HDAC8 in complex with Droxinostat Descriptor: Droxinostat, GLYCEROL, Histone deacetylase 8, ... Authors: Decroos, C, Christianson, D.W. Deposit date: 2015-06-08 Release date: 2016-06-08 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Phosphorylation of Histone Deacetylase 8: Structural and Mechanistic Analysis of the Phosphomimetic S39E Mutant. Biochemistry, 58, 2019
5D1B	Crystal structure of G117E HDAC8 in complex with TSA Descriptor: Histone deacetylase 8, POTASSIUM ION, TRICHOSTATIN A, ... Authors: Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. Deposit date: 2015-08-04 Release date: 2015-10-21 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders. Biochemistry, 54, 2015
5D1D	Crystal structure of P91L-Y306F HDAC8 in complex with a tetrapeptide substrate Descriptor: HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, POTASSIUM ION, ... Authors: Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. Deposit date: 2015-08-04 Release date: 2015-10-21 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.011 Å) Cite: Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders. Biochemistry, 54, 2015
5D1C	Crystal structure of D233G-Y306F HDAC8 in complex with a tetrapeptide substrate Descriptor: GLYCEROL, HDAC8 Fluor de Lys tetrapeptide substrate, Histone deacetylase 8, ... Authors: Decroos, C, Christianson, N.H, Gullett, L.E, Bowman, C.M, Christianson, K.E, Deardorff, M.A, Christianson, D.W. Deposit date: 2015-08-04 Release date: 2015-10-21 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.422 Å) Cite: Biochemical and Structural Characterization of HDAC8 Mutants Associated with Cornelia de Lange Syndrome Spectrum Disorders. Biochemistry, 54, 2015
5DC8	Crystal structure of H142A-Y306F HDAC8 in complex with a tetrapeptide substrate Descriptor: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... Authors: Decroos, C, Lee, M.S, Christianson, D.W. Deposit date: 2015-08-23 Release date: 2016-02-03 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.3 Å) Cite: General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry, 55, 2016
5DC7	Crystal structure of D176A-Y306F HDAC8 in complex with a tetrapeptide substrate Descriptor: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... Authors: Decroos, C, Lee, M.S, Christianson, D.W. Deposit date: 2015-08-23 Release date: 2016-02-03 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (2.3 Å) Cite: General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry, 55, 2016
5DC5	Crystal structure of D176N HDAC8 in complex with M344 Descriptor: 4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide, Histone deacetylase 8, POTASSIUM ION, ... Authors: Decroos, C, Lee, M.S, Christianson, D.W. Deposit date: 2015-08-23 Release date: 2016-02-03 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.94 Å) Cite: General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry, 55, 2016
5DC6	Crystal structure of D176N-Y306F HDAC8 in complex with a tetrapeptide substrate Descriptor: Fluor-de-Lys tetrapeptide assay substrate, GLYCEROL, Histone deacetylase 8, ... Authors: Decroos, C, Lee, M.S, Christianson, D.W. Deposit date: 2015-08-23 Release date: 2016-02-03 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.553 Å) Cite: General Base-General Acid Catalysis in Human Histone Deacetylase 8. Biochemistry, 55, 2016
5EEI	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with SAHA Descriptor: 1,2-ETHANEDIOL, CHLORIDE ION, GLYCEROL, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-22 Release date: 2016-07-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.32 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EEF	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 in complex with trichostatin A Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, HDAC6, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-22 Release date: 2016-07-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.151 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EDU	Crystal structure of human histone deacetylase 6 catalytic domain 2 in complex with trichostatin A Descriptor: Maltose-binding periplasmic protein, Histone deacetylase 6 chimera, POTASSIUM ION, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-22 Release date: 2016-07-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.79 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EF7	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HPOB Descriptor: 4-[2-[2-hydroxyethyl(phenyl)amino]-2-oxidanylidene-ethyl]-~{N}-oxidanyl-benzamide, Hdac6 protein, POTASSIUM ION, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-23 Release date: 2016-07-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EFG	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with acetate Descriptor: ACETATE ION, Hdac6 protein, POTASSIUM ION, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-23 Release date: 2016-07-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.25 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EEK	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with trichostatin A Descriptor: 1,2-ETHANEDIOL, AMMONIUM ION, CHLORIDE ION, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-23 Release date: 2016-07-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.59 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EEN	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with belinostat Descriptor: Belinostat, CHLORIDE ION, Hdac6 protein, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-23 Release date: 2016-07-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (1.861 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EFK	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (Y745F mutant) in complex with alpha tubulin K40 tripeptide substrate Descriptor: 1,2-ETHANEDIOL, 7-AMINO-4-METHYL-CHROMEN-2-ONE, DI(HYDROXYETHYL)ETHER, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-23 Release date: 2016-07-27 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.82 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EFH	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with trifluoroketone transition state analogue Descriptor: 1,2-ETHANEDIOL, 7-[(3-aminopropyl)amino]-1,1,1-trifluoroheptane-2,2-diol, BROMIDE ION, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-23 Release date: 2016-07-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.162 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EF8	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with panobinostat Descriptor: 1,2-ETHANEDIOL, GLYCEROL, Hdac6 protein, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-23 Release date: 2016-07-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.6 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EFJ	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with HC toxin Descriptor: 1,2-ETHANEDIOL, GLYCEROL, HC toxin, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-23 Release date: 2016-07-27 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.73 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EEM	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 Descriptor: FORMIC ACID, Hdac6 protein, POTASSIUM ION, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-23 Release date: 2016-07-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EFB	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 in complex with oxamflatin Descriptor: Hdac6 protein, Oxamflatin, POTASSIUM ION, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-23 Release date: 2016-07-27 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (2.543 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5EFN	Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 2 (H574A) in complex with histone H4 Lys6 tripeptide substrate Descriptor: 1,2-ETHANEDIOL, 7-AMINO-4-METHYL-CHROMEN-2-ONE, Hdac6 protein, ... Authors: Hai, Y, Christianson, D.W. Deposit date: 2015-10-24 Release date: 2016-07-27 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.804 Å) Cite: Histone deacetylase 6 structure and molecular basis of catalysis and inhibition. Nat.Chem.Biol., 12, 2016
5FCW	HDAC8 Complexed with a Hydroxamic Acid Descriptor: 4-naphthalen-1-yl-~{N}-oxidanyl-benzamide, GLYCEROL, HEXAETHYLENE GLYCOL, ... Authors: Cole, K.E, Perry, K. Deposit date: 2015-12-15 Release date: 2016-10-26 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.979 Å) Cite: Structure of 'linkerless' hydroxamic acid inhibitor-HDAC8 complex confirms the formation of an isoform-specific subpocket. J.Struct.Biol., 195, 2016
5FUE	Crystal structure of Schistosoma mansoni HDAC8 complexed with 3- benzamido-benzohydroxamate Descriptor: 3-(benzoylamino)-N-oxobenzamide, DIMETHYLFORMAMIDE, GLYCEROL, ... Authors: Marek, M, Romier, C. Deposit date: 2016-01-26 Release date: 2016-03-09 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (2.199 Å) Cite: Structure-Based Design and Synthesis of Novel Inhibitors Targeting Hdac8 from Schistosoma Mansoni for the Treatment of Schistosomiasis. J.Med.Chem., 59, 2016

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